4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine

C12H16FN — CID 144543254

IUPAC4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
SMILESFC12C=CC(C3CCNCC3)=CC1C2
InChIInChI=1S/C12H16FN/c13-12-4-1-10(7-11(12)8-12)9-2-5-14-6-3-9/h1,4,7,9,11,14H,2-3,5-6,8H2
InChIKeyQKUDCAKIUJFKCD-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.21
Rot. Bonds1

About 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine

4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine (PubChem CID 144543254) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine.

Molecular Properties

Compound Name4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
PubChem CID144543254
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
SMILESFC12C=CC(C3CCNCC3)=CC1C2
InChIInChI=1S/C12H16FN/c13-12-4-1-10(7-11(12)8-12)9-2-5-14-6-3-9/h1,4,7,9,11,14H,2-3,5-6,8H2
InChIKeyQKUDCAKIUJFKCD-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The IUPAC name of 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine (CID 144543254) is 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine.
What is the SMILES notation for 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The canonical SMILES for 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine is FC12C=CC(C3CCNCC3)=CC1C2.
What is the InChIKey of 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
The InChIKey is QKUDCAKIUJFKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-12-4-1-10(7-11(12)8-12)9-2-5-14-6-3-9/h1,4,7,9,11,14H,2-3,5-6,8H2.
What are the key properties of 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine?
4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine has a molecular weight of 193.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine is sourced from PubChem (CID 144543254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).